(2-chloro-4-fluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine

C12H13ClFN3O — CID 114064742

IUPAC(2-chloro-4-fluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCCc1nc(C(N)c2ccc(F)cc2Cl)no1
InChIInChI=1S/C12H13ClFN3O/c1-2-3-10-16-12(17-18-10)11(15)8-5-4-7(14)6-9(8)13/h4-6,11H,2-3,15H2,1H3
InChIKeyGYOQZNIQDYQPGD-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.86
Rot. Bonds4

About (2-chloro-4-fluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine

(2-chloro-4-fluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 114064742) has the molecular formula C12H13ClFN3O and a molecular weight of 269.71 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID114064742
Molecular FormulaC12H13ClFN3O
Molecular Weight269.71 g/mol
Exact Mass269.07
IUPAC Name(2-chloro-4-fluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCCc1nc(C(N)c2ccc(F)cc2Cl)no1
InChIInChI=1S/C12H13ClFN3O/c1-2-3-10-16-12(17-18-10)11(15)8-5-4-7(14)6-9(8)13/h4-6,11H,2-3,15H2,1H3
InChIKeyGYOQZNIQDYQPGD-UHFFFAOYSA-N
XLogP2.86
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-chloro-4-fluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 106531793
(2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 63632238
(3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43753558
phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
CID 54594395
(2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977040
(7-chloro-1,3-benzodioxol-5-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559561
(1S)-1-[4-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78936141
2-(2-chloro-4-fluorophenyl)pentan-3-amine
CID 79308367
(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198689
(1S)-1-(2-chloro-4-fluorophenyl)hexan-1-amine
CID 171223780
(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine
CID 62945856
5-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82847241

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (2-chloro-4-fluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine (CID 114064742) is (2-chloro-4-fluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine is CCCc1nc(C(N)c2ccc(F)cc2Cl)no1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is GYOQZNIQDYQPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O/c1-2-3-10-16-12(17-18-10)11(15)8-5-4-7(14)6-9(8)13/h4-6,11H,2-3,15H2,1H3.
What are the key properties of (2-chloro-4-fluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
(2-chloro-4-fluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 269.71 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 114064742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).